Geometry & MOs

Info

ID:	242928
PubChem CID:	99214344
Reduced:	SN4O4C26H30 (1)
Stoich.:	AB4C4D26E30 (1)
Weight, g/mol:	376.178693
ΔH_f, kcal/mol:	-98.62
Dipole, Da:	7.16
IP(EA), eV:	-8.91(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]quinoline-5-carboxamide

Drug info:

PubChemData

Smile

CN1C=CN=C1SCC(=O)NC2=CC=C(C=C2)C(=O)NCC3(CCOCC3)C4=CC=C(C=C4)OC

DOS

IR

Vibrations